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(1-S,2-R,5-S,6-R)-2-(5-METHOXY-3,4-METHYLENEDIOXYPHENYL)-6-(3,4-DIHYDROXY-5-METHOXYPHENYL)-3,7-DIOXABICYCLO-[3.3.0]-OCTANE

View entire compound with spectra: 1 NMR

(1-S,2-R,5-S,6-R)-2-(5-METHOXY-3,4-METHYLENEDIOXYPHENYL)-6-(3,4-DIHYDROXY-5-METHOXYPHENYL)-3,7-DIOXABICYCLO-[3.3.0]-OCTANE
SpectraBase Compound ID Bszc7xSpQoV
InChI InChI=1S/C21H22O8/c1-24-15-4-10(3-14(22)18(15)23)19-12-7-27-20(13(12)8-26-19)11-5-16(25-2)21-17(6-11)28-9-29-21/h3-6,12-13,19-20,22-23H,7-9H2,1-2H3/t12-,13-,19+,20+/m0/s1
InChIKey VVGTYCADBJEFMD-ISZNXKAUSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7h84n3qHtqV
Name (1-S,2-R,5-S,6-R)-2-(5-METHOXY-3,4-METHYLENEDIOXYPHENYL)-6-(3,4-DIHYDROXY-5-METHOXYPHENYL)-3,7-DIOXABICYCLO-[3.3.0]-OCTANE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-24-15-4-10(3-14(22)18(15)23)19-12-7-27-20(13(12)8-26-19)11-5-16(25-2)21-17(6-11)28-9-29-21/h3-6,12-13,19-20,22-23H,7-9H2,1-2H3/t12-,13-,19+,20+/m0/s1
InChIKey VVGTYCADBJEFMD-ISZNXKAUSA-N
Literature Reference Author N.LI,J.L.WU,T.HASEGAWA,J.I.SASAKI,L.M.BAI,L.Y.WANG,S.KAKUTA, Y.FURUYA,H.OGURA,T.K
Literature Reference Citation J.NAT.PROD.,70,544(2007)
Literature Reference DOI 10.1021/np0604533
Molecular Weight 402.401 g/mol
Sample ID 30093
Solvent CDCl3